CID 91650

Pyrimethanil

Structural Information

Molecular Formula
C12H13N3
SMILES
CC1=CC(=NC(=N1)NC2=CC=CC=C2)C
InChI
InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)
InChIKey
ZLIBICFPKPWGIZ-UHFFFAOYSA-N
Compound name
4,6-dimethyl-N-phenylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

202
References

52945
Patents

199.11095 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 144.3
[M+Na]+ 222.10017 159.7
[M+NH4]+ 217.14477 153.1
[M+K]+ 238.07411 151.6
[M-H]- 198.10367 149.1
[M+Na-2H]- 220.08562 154.9
[M]+ 199.11040 147.9
[M]- 199.11150 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe